Metadata-Version: 2.3
Name: MuCOS
Version: 0.2
Summary: Multi-SuCOS: Score derivative compounds based how well they recapitulate the shape and colour of multiple (fragment) inspiration hits
Project-URL: Homepage, https://github.com/mwinokan/MuCOS
Project-URL: Bug Tracker, https://github.com/mwinokan/MuCOS/issues
Author-email: Max Winokan <max@winokan.com>
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.10
Requires-Dist: molparse
Requires-Dist: mpytools>=0.0.9
Requires-Dist: pandas
Requires-Dist: rdkit
Requires-Dist: rich
Description-Content-Type: text/markdown

# 🐄 MuCOS

> pronounced: "moo-cos"

Multi-SuCOS: Score derivative compounds based how well they recapitulate the shape and colour of multiple (fragment) inspiration hits

## Based on:

- [SuCOS](https://github.com/susanhleung/SuCOS)
- [OpenEye Tversky](https://docs.eyesopen.com/applications/rocs/theory/measure_similarity.html#tversky)
- [Malhotra and Karanicolas' COS measure](https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.6b00725)
